SCHEMBL2701656

SCHEMBL2701656

CCCS(=O)(=O)N1CCC(C(N)=O)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.51
SLC6A9 P48067 6/20 0.51
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48
OPRL1 P41146 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.46
NOS2 P35228 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3998555 0.88 POLB (0.55) GAAPKMPOLBSLC6A9MAPT
SCHEMBL5585135 0.82 POLB (0.49) GAAPKMPOLBSLC6A9MAPT
SCHEMBL5585139 0.82 POLB (0.49) GAAPKMPOLBSLC6A9MAPT
SCHEMBL2701832 0.82 KMT2A (0.57) TSHRSMN1; SMN2ALDH1A1KMT2AOPRL1
SCHEMBL6498727 0.80 KMT2A (0.68) POLBTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2702185 0.80 SMN1; SMN2 (0.56) GAATSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2701654 0.78 OPRL1 (0.55) POLBTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4003496 0.78 SLC6A9 (0.55) GAAPKMPOLBSLC6A9MAPT
SCHEMBL17520399 0.77 OPRM1 (0.69) LMNAKMT2AOPRL1
SCHEMBL5585246 0.76 SLC6A9 (0.57) GAAPKMPOLBSLC6A9MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 GAA 3999/4885PKM 675/4885POLB 4413/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GAA 3999/4885PKM 675/4885POLB 4413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.